3-(4-hydroxy-2,2-dimethylpentyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea

C16H27N3O2 — CID 111507290

IUPAC3-(4-hydroxy-2,2-dimethylpentyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
SMILESCC(O)CC(C)(C)CNC(=O)N(C)CCc1ccccn1
InChIInChI=1S/C16H27N3O2/c1-13(20)11-16(2,3)12-18-15(21)19(4)10-8-14-7-5-6-9-17-14/h5-7,9,13,20H,8,10-12H2,1-4H3,(H,18,21)
InChIKeyAEEYLESOVZUYAE-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.06
Rot. Bonds7

About 3-(4-hydroxy-2,2-dimethylpentyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea

3-(4-hydroxy-2,2-dimethylpentyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea (PubChem CID 111507290) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(4-hydroxy-2,2-dimethylpentyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name3-(4-hydroxy-2,2-dimethylpentyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
PubChem CID111507290
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-(4-hydroxy-2,2-dimethylpentyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
SMILESCC(O)CC(C)(C)CNC(=O)N(C)CCc1ccccn1
InChIInChI=1S/C16H27N3O2/c1-13(20)11-16(2,3)12-18-15(21)19(4)10-8-14-7-5-6-9-17-14/h5-7,9,13,20H,8,10-12H2,1-4H3,(H,18,21)
InChIKeyAEEYLESOVZUYAE-UHFFFAOYSA-N
XLogP2.06
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-hydroxy-2,2-dimethylpentyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]butanoic acid
CID 61196298
N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 111480307
2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 116816951
2-amino-3-hydroxy-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 115180171
1-[[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451209
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
1-methyl-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1-(2-pyridin-2-ylethyl)urea
CID 126445887
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
3-(2,6-diethylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 86987284
N-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)benzamide
CID 78796251
3-(4-hydroxy-2,2-dimethylpentyl)-1-methyl-1-(2-methyl-1-phenylpropyl)urea
CID 111507458
1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 111479509

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-2,2-dimethylpentyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 3-(4-hydroxy-2,2-dimethylpentyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea (CID 111507290) is 3-(4-hydroxy-2,2-dimethylpentyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 3-(4-hydroxy-2,2-dimethylpentyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 3-(4-hydroxy-2,2-dimethylpentyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea is CC(O)CC(C)(C)CNC(=O)N(C)CCc1ccccn1.
What is the InChIKey of 3-(4-hydroxy-2,2-dimethylpentyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea?
The InChIKey is AEEYLESOVZUYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13(20)11-16(2,3)12-18-15(21)19(4)10-8-14-7-5-6-9-17-14/h5-7,9,13,20H,8,10-12H2,1-4H3,(H,18,21).
What are the key properties of 3-(4-hydroxy-2,2-dimethylpentyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea?
3-(4-hydroxy-2,2-dimethylpentyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea has a molecular weight of 293.41 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-2,2-dimethylpentyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 111507290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).